Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.75 |
| ▸ | PDE4A | P27815 | 9/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | ESR1 | P03372 | 1/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | MAPT | P10636 | 1/20 | 0.74 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.74 |
| ▸ | ACHE | P22303 | 1/20 | 0.74 |
| ▸ | BLM | P54132 | 1/20 | 0.74 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.74 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.71 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.69 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.69 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7793161 | 0.88 | PDE4A (0.84) | TRPA1PDE4ALMNAESR1CYP1A2 | |
| SCHEMBL9682866 | 0.86 | RXFP1 (0.77) | TRPA1PDE4ALMNAESR1CYP1A2 | |
| SCHEMBL7798793 | 0.86 | PDE4A (0.93) | TRPA1PDE4ALMNAESR1CYP1A2 | |
| SCHEMBL30885730 | 0.86 | PDE4A (0.78) | PDE4ALMNAESR1CYP1A2MAPT | |
| SCHEMBL17619850 | 0.86 | TRPA1 (1.00) | TRPA1PDE4ALMNAESR1CYP1A2 | |
| Propentofylline SCHEMBL74602 | 0.85 | PDE4A (1.00) | TRPA1PDE4ALMNAESR1CYP1A2 | |
| SCHEMBL25778327 | 0.85 | PDE4A (0.71) | PDE4ALMNAESR1CYP1A2MAPT | |
| SCHEMBL31411994 | 0.85 | PDE4A (0.71) | PDE4ALMNAESR1CYP1A2MAPT | |
| SCHEMBL7800905 | 0.84 | PDE4A (0.98) | TRPA1PDE4ALMNAESR1CYP1A2 | |
| SCHEMBL25246280 | 0.84 | PDE4A (0.71) | TRPA1PDE4ALMNAESR1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0811623-B1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AG (DE) | 2001-04-04 | — | — | EP | disclosed |
| US-5965555-A | TREATMENT AND/OR PROPHYLAXIS OF CEREBROVASCULAR DISORDERS CHARACTERIZED BY DAMAGE CAUSED BY ISCHEMIA AND SUBSEQUENT NECROTIC DESTRUCTION OF NERVE CELLS(NEURONS) | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-10-12 | — | — | US | disclosed |
| EP-0811623-A1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |